SCHEMBL6971776

SCHEMBL6971776

NC(=O)C1c2cc[c]cc2CCN1Cc1ccc(N2CCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.35
NPBWR1 P48145 3/20 0.35
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
SMYD3 Q9H7B4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.32
AVPR2 P30518 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6962637 0.87 GAA (0.39) HDAC6ALDH1A1LMNA
SCHEMBL6966047 0.85 ESR1 (0.37) GRIN1GRIN2BSMN1; SMN2
SCHEMBL6969257 0.84 SMN1; SMN2 (0.39) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6966740 0.84 HDAC1 (0.39) MAPTHDAC6ALDH1A1LMNA
SCHEMBL6972428 0.84 DRD2 (0.35) MAPTALDH1A1
SCHEMBL6968420 0.83 ALDH1A1 (0.44) MAPTALDH1A1
SCHEMBL6974751 0.83 GRM5 (0.40) MCHR1NPBWR1ALDH1A1SMN1; SMN2
SCHEMBL6973731 0.83 ACACB (0.40) ALDH1A1SMN1; SMN2
SCHEMBL6966889 0.83 HDAC3 (0.38) MAPTHDAC6ALDH1A1
SCHEMBL6969207 0.83 SIRT2 (0.39) MAPTHDAC6SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 EP disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 WO disclosed